N-tert-butyl-2-(ethylamino)acetamide hydrochloride

• ChemBase ID: 232644
• Molecular Formular: C8H19ClN2O
• Molecular Mass: 194.70226
• Monoisotopic Mass: 194.11859092
• SMILES: C(=O)(NC(C)(C)C)CNCC.Cl
• Canonical SMILES: CCNCC(=O)NC(C)(C)C.Cl
• InChI: InChI=1S/C8H18N2O.ClH/c1-5-9-6-7(11)10-8(2,3)4;/h9H,5-6H2,1-4H3,(H,10,11);1H
• InChIKey: PCZHMISLEBGTOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-(ethylamino)acetamide hydrochloride
• IUPAC Traditional name: N-tert-butyl-2-(ethylamino)acetamide hydrochloride
• Synonyms: N-(tert-butyl)-2-(ethylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08447245
• PubChem SID: 164288554
• PubChem CID: 16243470

CALCULATED PROPERTIES

• Acid pKa: 16.05524
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8950148
• LogD (pH = 7.4): -1.3807139
• Log P: 0.11260589
• Molar Refractivity: 46.0511 cm^3
• Polarizability: 18.198185 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): 0.502

Product Information

• Purity: 95%
• Salt Data: HCl